Structure and Two-dimensional Correlation Infrared Spectroscopy Study of a New One-dimensional Chain Compound: (4,4’-Hbpy)_3[NaMo_8O_(26)](4,4’- bpy)_2(H_2O)_4 (bpy = Bipydine)

1 INTRODUCTION Owing to their unusual topological properties and economically important applications in many fields, such as catalysis, biology, materials science and mag- netochemistry[1～3], polyoxometalates (POMs) have aroused particular interest for a long time[4～6]. But the investigation in their capability and application are relatively less carried on. Even though some POMs have been put into practice, the mechanism of the function of POMs remains incompletely understood. Thus,…

Structure and Two-dimensional Correlation Infrared Spectroscopy Study of a New One-dimensional Chain Compound: (4,4’-Hbpy)_3[NaMo_8O_(26)](4,4’- bpy)_2(H_2O)_4 (bpy = Bipydine)

A novel compound, (4,4′-Hbpy)3[NaMo8O26](4,4′-bpy)2(H2O)4 1 (bpy = bipydine), was synthesized by the hydrothermal method. Single-crystal X-ray diffraction shows that compound 1 belongs to the monoclinic system, space group C2/m with a = 19.1921(5), b = 18.6931(6), c = 9.3821(3) , β = 104.8020(11)o, V = 3254.22(17) 3, C50H51Mo8N10NaO30, Mr = 2062.52, Z = 2, F(000) = 2016, μ = 1.591 mm-1 and Dc = 2.105 g/cm3. The final R = 0.0283 and wR = 0.0912 for 3118 observed reflections (I > 2((I)). Compound 1 contains the β-[Mo8O26]4- anion, sodium ion, 4,4′-bpy and lattice crystalline water molecules. The β-[Mo8O26] units link the sodium ion to form a chain structure. The infinite chains of [Na(Mo8O26)]3- blocks are surrounded by protonized 4,4′-bpy cations, 4,4′-bpy and lattice crystalline water molecules. The 2D-IR correlation spectroscopy study indicates that the stretching vibrations of Mo=O occur more preferentially due to the thermal effect. The TGA analysis shows that compound 1 has high thermal stability.